N-[2-[methyl-[(1S)-1-phenyl-2-pyrrolidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide

Systemtic Name: N-[2-[methyl-[(1S)-1-phenyl-2-pyrrolidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: N-[2-[methyl-[(1S)-1-phenyl-2-pyrrolidin-1-yl-ethyl]amino]-2-oxo-ethyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: N-[2-[methyl-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl]amino]-2-oxoethyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: N-[2-[methyl-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: N-[2-keto-2-[methyl-[(1S)-1-phenyl-2-pyrrolidino-ethyl]amino]ethyl]-1-oxido-benzofurazan-1-ium-5-carboxamide Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CN1CCCC1)C2=CC=CC=C2)C(=O)CNC(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

Isomeric SMILES

CN([C@H](CN1CCCC1)C2=CC=CC=C2)C(=O)CNC(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

InChI

InChI=1S/C22H25N5O4/c1-25(20(15-26-11-5-6-12-26)16-7-3-2-4-8-16)21(28)14-23-22(29)17-9-10-19-18(13-17)24-31-27(19)30/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3,(H,23,29)/t20-/m1/s1